3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide

C22H24N4O3 — CID 51339051

IUPAC3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C22H24N4O3/c1-14(27)24-20(12-16-13-23-19-10-5-4-9-18(16)19)21(28)25-17-8-6-7-15(11-17)22(29)26(2)3/h4-11,13,20,23H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyDSYWJJGIGMCMTP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.56
Rot. Bonds6

About 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide

3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide (PubChem CID 51339051) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
PubChem CID51339051
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C22H24N4O3/c1-14(27)24-20(12-16-13-23-19-10-5-4-9-18(16)19)21(28)25-17-8-6-7-15(11-17)22(29)26(2)3/h4-11,13,20,23H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyDSYWJJGIGMCMTP-UHFFFAOYSA-N
XLogP2.56
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
N-[3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]phenyl]furan-2-carboxamide
CID 46510572
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
2-acetamido-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55933822
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583

Frequently Asked Questions

What is the IUPAC name of 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide (CID 51339051) is 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DSYWJJGIGMCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(27)24-20(12-16-13-23-19-10-5-4-9-18(16)19)21(28)25-17-8-6-7-15(11-17)22(29)26(2)3/h4-11,13,20,23H,12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide?
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 51339051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).