3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide

C15H21N3O — CID 115153153

IUPAC3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCN)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-15(2,10-18-14(19)7-8-16)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,10,16H2,1-2H3,(H,18,19)
InChIKeyYMWQAVGAEAMKDW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide

3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide (PubChem CID 115153153) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
PubChem CID115153153
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCN)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-15(2,10-18-14(19)7-8-16)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,10,16H2,1-2H3,(H,18,19)
InChIKeyYMWQAVGAEAMKDW-UHFFFAOYSA-N
XLogP1.91
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
CID 113084371
N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 55716276
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide (CID 115153153) is 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide is CC(C)(CNC(=O)CCN)c1c[nH]c2ccccc12.
What is the InChIKey of 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide?
The InChIKey is YMWQAVGAEAMKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,10-18-14(19)7-8-16)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,17H,7-8,10,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide?
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 115153153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).