N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide

C14H18N2O — CID 113086281

IUPACN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10(17)16-14(2,3)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9,15H,8H2,1-3H3,(H,16,17)
InChIKeyIRJXLQZXJZYDPN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide (PubChem CID 113086281) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
PubChem CID113086281
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-10(17)16-14(2,3)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9,15H,8H2,1-3H3,(H,16,17)
InChIKeyIRJXLQZXJZYDPN-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286
N-[1-(5-chloro-1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 69068794
2-acetamido-2-(1H-indol-3-ylmethyl)hex-3-ynoic acid
CID 70613386
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
benzene;2-(dimethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 174391418
[2-carboxy-1-(1H-indol-3-yl)propan-2-yl]-trimethylazanium
CID 91357862
2-acetamido-2-bromo-N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 67700312
methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
CID 10988925
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide (CID 113086281) is N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
The InChIKey is IRJXLQZXJZYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(17)16-14(2,3)8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide?
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 113086281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).