3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide

C21H33N3O3 — CID 110160064

IUPAC3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide
SMILESNCCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C21H33N3O3/c22-11-8-20(26)23-16-21(17-4-2-1-3-5-17)9-6-18(19(25)7-10-21)24-12-14-27-15-13-24/h1-5,18-19,25H,6-16,22H2,(H,23,26)/t18-,19+,21+/m0/s1
InChIKeyFWTNQKOPFSGRHL-QKNQBKEWSA-N
MW375.51 g/mol
LogP1.03
Rot. Bonds6

About 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide

3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide (PubChem CID 110160064) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide
PubChem CID110160064
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide
SMILESNCCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C21H33N3O3/c22-11-8-20(26)23-16-21(17-4-2-1-3-5-17)9-6-18(19(25)7-10-21)24-12-14-27-15-13-24/h1-5,18-19,25H,6-16,22H2,(H,23,26)/t18-,19+,21+/m0/s1
InChIKeyFWTNQKOPFSGRHL-QKNQBKEWSA-N
XLogP1.03
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide with MolForge

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Related Compounds

2-cyclopropyl-N-[[(1S,4S,5S)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]acetamide
CID 110147441
N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide
CID 110160086
N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-2-(oxan-4-yl)acetamide
CID 129454160
N-[[(1S,4S,5S)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-2-methoxyacetamide
CID 110159907
2-amino-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 110160088
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]propanamide
CID 110159901
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-3-pyrrolidin-1-ylpropanamide
CID 129456214
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
5-ethyl-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-1,2-oxazole-3-carboxamide
CID 110160051
2-cyclopentyl-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 129459554
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide (CID 110160064) is 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide is NCCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1.
What is the InChIKey of 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide?
The InChIKey is FWTNQKOPFSGRHL-QKNQBKEWSA-N. The full InChI is InChI=1S/C21H33N3O3/c22-11-8-20(26)23-16-21(17-4-2-1-3-5-17)9-6-18(19(25)7-10-21)24-12-14-27-15-13-24/h1-5,18-19,25H,6-16,22H2,(H,23,26)/t18-,19+,21+/m0/s1.
What are the key properties of 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide?
3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide has a molecular weight of 375.51 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide is sourced from PubChem (CID 110160064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).