N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide

C22H27N3O — CID 54410518

IUPACN-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C)c(C)c1)C[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-15-8-9-18(10-16(15)2)13-25(17(3)26)14-20(23)11-19-12-24-22-7-5-4-6-21(19)22/h4-10,12,20,24H,11,13-14,23H2,1-3H3/t20-/m1/s1
InChIKeyVTUKVQOUKUEWAP-HXUWFJFHSA-N
MW349.48 g/mol
LogP3.70
Rot. Bonds6

About N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide

N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide (PubChem CID 54410518) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide
PubChem CID54410518
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(C)c(C)c1)C[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-15-8-9-18(10-16(15)2)13-25(17(3)26)14-20(23)11-19-12-24-22-7-5-4-6-21(19)22/h4-10,12,20,24H,11,13-14,23H2,1-3H3/t20-/m1/s1
InChIKeyVTUKVQOUKUEWAP-HXUWFJFHSA-N
XLogP3.70
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)butan-2-amine
CID 8367
N-[3-(1H-indol-3-yl)-2-(tritylamino)propyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 10507700
ethyl 2-(diacetylamino)-3-(1H-indol-3-yl)propanoate
CID 66881182
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967
ethyl 2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-benzylamino]acetate
CID 54408165
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
2-[acetyl(1H-indol-3-ylmethyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 51362594

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The IUPAC name of N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide (CID 54410518) is N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide is CC(=O)N(Cc1ccc(C)c(C)c1)C[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
The InChIKey is VTUKVQOUKUEWAP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O/c1-15-8-9-18(10-16(15)2)13-25(17(3)26)14-20(23)11-19-12-24-22-7-5-4-6-21(19)22/h4-10,12,20,24H,11,13-14,23H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide?
N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-N-[(3,4-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 54410518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).