(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide

C16H29N5O — CID 95905700

IUPAC(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C16H29N5O/c1-13(2)15-19-18-12-21(15)11-8-17-16(22)14(3)20-9-6-4-5-7-10-20/h12-14H,4-11H2,1-3H3,(H,17,22)/t14-/m1/s1
InChIKeyBNUWZLVCICBIAL-CQSZACIVSA-N
MW307.44 g/mol
LogP1.78
Rot. Bonds6

About (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide

(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide (PubChem CID 95905700) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
PubChem CID95905700
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C16H29N5O/c1-13(2)15-19-18-12-21(15)11-8-17-16(22)14(3)20-9-6-4-5-7-10-20/h12-14H,4-11H2,1-3H3,(H,17,22)/t14-/m1/s1
InChIKeyBNUWZLVCICBIAL-CQSZACIVSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 119891087
2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
CID 119891069
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122557943
7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
CID 119891057
N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71985194
(7R)-3-cyclohexyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339653
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 120613296
4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
CID 71985196
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 167972838
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide (CID 95905700) is (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide is CC(C)c1nncn1CCNC(=O)[C@@H](C)N1CCCCCC1.
What is the InChIKey of (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The InChIKey is BNUWZLVCICBIAL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13(2)15-19-18-12-21(15)11-8-17-16(22)14(3)20-9-6-4-5-7-10-20/h12-14H,4-11H2,1-3H3,(H,17,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 95905700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).