N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C23H27N3O — CID 42778803

IUPACN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(Cc1ccncc1)CC1CCCCC1
InChIInChI=1S/C23H27N3O/c27-23(14-20-15-25-22-9-5-4-8-21(20)22)26(16-18-6-2-1-3-7-18)17-19-10-12-24-13-11-19/h4-5,8-13,15,18,25H,1-3,6-7,14,16-17H2
InChIKeyDHANFABJTHEPEU-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.71
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 42778803) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID42778803
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(Cc1ccncc1)CC1CCCCC1
InChIInChI=1S/C23H27N3O/c27-23(14-20-15-25-22-9-5-4-8-21(20)22)26(16-18-6-2-1-3-7-18)17-19-10-12-24-13-11-19/h4-5,8-13,15,18,25H,1-3,6-7,14,16-17H2
InChIKeyDHANFABJTHEPEU-UHFFFAOYSA-N
XLogP4.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 42778811
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 45275125
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 42778803) is N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)N(Cc1ccncc1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is DHANFABJTHEPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(14-20-15-25-22-9-5-4-8-21(20)22)26(16-18-6-2-1-3-7-18)17-19-10-12-24-13-11-19/h4-5,8-13,15,18,25H,1-3,6-7,14,16-17H2.
What are the key properties of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 42778803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).