N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide

C20H25N3O2 — CID 118789700

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C1CCCCCN1CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H25N3O2/c24-19-4-2-1-3-11-22(19)14-20(25)23(17-6-7-17)13-15-5-8-18-16(12-15)9-10-21-18/h5,8-10,12,17,21H,1-4,6-7,11,13-14H2
InChIKeyWLRPNVZYFOAXRJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.06
Rot. Bonds5

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 118789700) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID118789700
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C1CCCCCN1CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C20H25N3O2/c24-19-4-2-1-3-11-22(19)14-20(25)23(17-6-7-17)13-15-5-8-18-16(12-15)9-10-21-18/h5,8-10,12,17,21H,1-4,6-7,11,13-14H2
InChIKeyWLRPNVZYFOAXRJ-UHFFFAOYSA-N
XLogP3.06
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 55401551
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-cyclopropyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-indol-5-ylmethyl)acetamide
CID 77094540
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
1-cyclopropyl-3-[2-(1-hydroxycyclopentyl)ethyl]-1-(1H-indol-5-ylmethyl)urea
CID 122562050
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide (CID 118789700) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide is O=C1CCCCCN1CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is WLRPNVZYFOAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-4-2-1-3-11-22(19)14-20(25)23(17-6-7-17)13-15-5-8-18-16(12-15)9-10-21-18/h5,8-10,12,17,21H,1-4,6-7,11,13-14H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 118789700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).