N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide

C17H22N2O — CID 63996376

IUPACN-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCC(CC1CC1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-14(9-12-7-8-12)19-17(20)10-13-11-18-16-6-4-3-5-15(13)16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyKZYRVMHKAWSAKB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide

N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 63996376) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID63996376
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCC(CC1CC1)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-14(9-12-7-8-12)19-17(20)10-13-11-18-16-6-4-3-5-15(13)16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,19,20)
InChIKeyKZYRVMHKAWSAKB-UHFFFAOYSA-N
XLogP3.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
S-sulfanyl (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanethioate
CID 147372892
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide (CID 63996376) is N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide is CCC(CC1CC1)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is KZYRVMHKAWSAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-14(9-12-7-8-12)19-17(20)10-13-11-18-16-6-4-3-5-15(13)16/h3-6,11-12,14,18H,2,7-10H2,1H3,(H,19,20).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 63996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).