N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide

C21H28N2O3 — CID 91768162

IUPACN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C21H28N2O3/c24-21(9-8-16-12-22-18-7-2-1-6-17(16)18)23-19-14-25-11-10-20(19)26-13-15-4-3-5-15/h1-2,6-7,12,15,19-20,22H,3-5,8-11,13-14H2,(H,23,24)/t19-,20+/m1/s1
InChIKeyNXBAIWPCOWREHC-UXHICEINSA-N
MW356.47 g/mol
LogP3.19
Rot. Bonds7

About N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 91768162) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID91768162
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CCC1
InChIInChI=1S/C21H28N2O3/c24-21(9-8-16-12-22-18-7-2-1-6-17(16)18)23-19-14-25-11-10-20(19)26-13-15-4-3-5-15/h1-2,6-7,12,15,19-20,22H,3-5,8-11,13-14H2,(H,23,24)/t19-,20+/m1/s1
InChIKeyNXBAIWPCOWREHC-UXHICEINSA-N
XLogP3.19
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
CID 91833615
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169328

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide (CID 91768162) is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CCC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is NXBAIWPCOWREHC-UXHICEINSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-21(9-8-16-12-22-18-7-2-1-6-17(16)18)23-19-14-25-11-10-20(19)26-13-15-4-3-5-15/h1-2,6-7,12,15,19-20,22H,3-5,8-11,13-14H2,(H,23,24)/t19-,20+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide?
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 91768162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).