(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide

C26H39N7O5 — CID 1142603

IUPAC(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H39N7O5/c1-19(26(35)27-21-7-4-5-8-21)32(12-6-11-31-13-15-38-16-14-31)24(34)18-33-29-25(28-30-33)20-9-10-22(36-2)23(17-20)37-3/h9-10,17,19,21H,4-8,11-16,18H2,1-3H3,(H,27,35)/t19-/m0/s1
InChIKeyNJFQGHRGWLQVGK-IBGZPJMESA-N
MW529.64 g/mol
LogP1.36
Rot. Bonds12

About (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide

(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide (PubChem CID 1142603) has the molecular formula C26H39N7O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide
PubChem CID1142603
Molecular FormulaC26H39N7O5
Molecular Weight529.64 g/mol
Exact Mass529.30
IUPAC Name(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H39N7O5/c1-19(26(35)27-21-7-4-5-8-21)32(12-6-11-31-13-15-38-16-14-31)24(34)18-33-29-25(28-30-33)20-9-10-22(36-2)23(17-20)37-3/h9-10,17,19,21H,4-8,11-16,18H2,1-3H3,(H,27,35)/t19-/m0/s1
InChIKeyNJFQGHRGWLQVGK-IBGZPJMESA-N
XLogP1.36
TPSA123.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088210
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)propanamide
CID 3179859
N-cyclohexyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-ethoxypropyl)amino]-2-(furan-2-yl)acetamide
CID 3174886
(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]pentanamide
CID 40620445
2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179898
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
(2R)-N-cyclopentyl-2-[(2-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 5438576
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-(4-fluorophenyl)acetamide
CID 98088214
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 40620777
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
CID 3179913

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide (CID 1142603) is (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide is COc1ccc(-c2nnn(CC(=O)N(CCCN3CCOCC3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide?
The InChIKey is NJFQGHRGWLQVGK-IBGZPJMESA-N. The full InChI is InChI=1S/C26H39N7O5/c1-19(26(35)27-21-7-4-5-8-21)32(12-6-11-31-13-15-38-16-14-31)24(34)18-33-29-25(28-30-33)20-9-10-22(36-2)23(17-20)37-3/h9-10,17,19,21H,4-8,11-16,18H2,1-3H3,(H,27,35)/t19-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide?
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide has a molecular weight of 529.64 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-morpholin-4-ylpropyl)amino]propanamide is sourced from PubChem (CID 1142603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).