2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide

C23H28N4O2 — CID 19818816

IUPAC2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C23H28N4O2/c1-4-27(5-2)19-12-10-18(11-13-19)26-23(29)22(25-16(3)28)14-17-15-24-21-9-7-6-8-20(17)21/h6-13,15,22,24H,4-5,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyCWRZJHNLRBXUTE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.70
Rot. Bonds8

About 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19818816) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID19818816
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
InChIInChI=1S/C23H28N4O2/c1-4-27(5-2)19-12-10-18(11-13-19)26-23(29)22(25-16(3)28)14-17-15-24-21-9-7-6-8-20(17)21/h6-13,15,22,24H,4-5,14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyCWRZJHNLRBXUTE-UHFFFAOYSA-N
XLogP3.70
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
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-[4-(diethylamino)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoate
CID 40858233
2-acetamido-N-[2-(diethylamino)propyl]-3-(1H-indol-3-yl)propanamide
CID 55683583
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55734095

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide (CID 19818816) is 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide is CCN(CC)c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1.
What is the InChIKey of 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is CWRZJHNLRBXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-27(5-2)19-12-10-18(11-13-19)26-23(29)22(25-16(3)28)14-17-15-24-21-9-7-6-8-20(17)21/h6-13,15,22,24H,4-5,14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19818816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).