(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide

C16H24N2O3 — CID 119324261

IUPAC(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)N)c1OC1CCCC1
InChIInChI=1S/C16H24N2O3/c1-11(17)16(19)18-10-12-6-5-9-14(20-2)15(12)21-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCSYIQBZXYWTBGP-NSHDSACASA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide

(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide (PubChem CID 119324261) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
PubChem CID119324261
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](C)N)c1OC1CCCC1
InChIInChI=1S/C16H24N2O3/c1-11(17)16(19)18-10-12-6-5-9-14(20-2)15(12)21-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCSYIQBZXYWTBGP-NSHDSACASA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119324271
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111564642
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111811404
2-[[N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111564135
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111564501
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111564386
N-[3-[[N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111564397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide (CID 119324261) is (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)[C@H](C)N)c1OC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide?
The InChIKey is CSYIQBZXYWTBGP-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17)16(19)18-10-12-6-5-9-14(20-2)15(12)21-13-7-3-4-8-13/h5-6,9,11,13H,3-4,7-8,10,17H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide?
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 119324261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).