(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide

C20H32N6O — CID 98304197

IUPAC(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
SMILESCc1nnn(C23C[C@@H]4C[C@H](CC(N[C@@H](C)C(=O)NC5CCCC5)(C4)C2)C3)n1
InChIInChI=1S/C20H32N6O/c1-13(18(27)21-17-5-3-4-6-17)22-19-8-15-7-16(9-19)11-20(10-15,12-19)26-24-14(2)23-25-26/h13,15-17,22H,3-12H2,1-2H3,(H,21,27)/t13-,15+,16+,19?,20?/m0/s1
InChIKeyCSLSMOKXFQPMOS-XAGROICKSA-N
MW372.52 g/mol
LogP2.07
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide

(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide (PubChem CID 98304197) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
PubChem CID98304197
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
SMILESCc1nnn(C23C[C@@H]4C[C@H](CC(N[C@@H](C)C(=O)NC5CCCC5)(C4)C2)C3)n1
InChIInChI=1S/C20H32N6O/c1-13(18(27)21-17-5-3-4-6-17)22-19-8-15-7-16(9-19)11-20(10-15,12-19)26-24-14(2)23-25-26/h13,15-17,22H,3-12H2,1-2H3,(H,21,27)/t13-,15+,16+,19?,20?/m0/s1
InChIKeyCSLSMOKXFQPMOS-XAGROICKSA-N
XLogP2.07
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide with MolForge

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Related Compounds

(5S,7S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(5-methyltetrazol-2-yl)adamantan-1-amine
CID 98759911
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 131911686
4-(aminomethyl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]benzamide
CID 122566237
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]pyrazin-2-amine
CID 45224608
1-(1-ethyltetrazol-5-yl)-3-[(5R,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]urea
CID 31053753
2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 45247652
2-[(5S,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-[(2R)-2-morpholin-4-ylpropyl]acetamide
CID 98132763
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 131909625
N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide
CID 4744892
(5S,7R)-N-cyclopentyl-3-(tetrazol-2-yl)adamantane-1-carboxamide
CID 843354
2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 46957202
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide (CID 98304197) is (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide is Cc1nnn(C23C[C@@H]4C[C@H](CC(N[C@@H](C)C(=O)NC5CCCC5)(C4)C2)C3)n1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide?
The InChIKey is CSLSMOKXFQPMOS-XAGROICKSA-N. The full InChI is InChI=1S/C20H32N6O/c1-13(18(27)21-17-5-3-4-6-17)22-19-8-15-7-16(9-19)11-20(10-15,12-19)26-24-14(2)23-25-26/h13,15-17,22H,3-12H2,1-2H3,(H,21,27)/t13-,15+,16+,19?,20?/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide?
(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide has a molecular weight of 372.52 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide is sourced from PubChem (CID 98304197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).