2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate

C27H30N4O3 — CID 59081943

IUPAC2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-31(27(33)34-15-13-28)25(17-19-10-11-20-6-2-3-7-21(20)16-19)26(32)29-14-12-22-18-30-24-9-5-4-8-23(22)24/h2-11,16,18,25,30H,12-15,17,28H2,1H3,(H,29,32)/t25-/m1/s1
InChIKeyOWSMBIKPVMOYFU-RUZDIDTESA-N
MW458.56 g/mol
LogP3.62
Rot. Bonds9

About 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate

2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 59081943) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID59081943
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-31(27(33)34-15-13-28)25(17-19-10-11-20-6-2-3-7-21(20)16-19)26(32)29-14-12-22-18-30-24-9-5-4-8-23(22)24/h2-11,16,18,25,30H,12-15,17,28H2,1H3,(H,29,32)/t25-/m1/s1
InChIKeyOWSMBIKPVMOYFU-RUZDIDTESA-N
XLogP3.62
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate
CID 59081959
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-(3-aminopropyl)-3-naphthalen-2-ylpropanamide
CID 59081964
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
N-cyano-N-ethyl-2-[3-(1H-indol-3-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
CID 87927086
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
2-[[[2-(1H-indol-3-yl)ethylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111537411
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 17470412
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094961
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094958
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-methoxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 67674645
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate (CID 59081943) is 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate is CN(C(=O)OCCN)[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is OWSMBIKPVMOYFU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H30N4O3/c1-31(27(33)34-15-13-28)25(17-19-10-11-20-6-2-3-7-21(20)16-19)26(32)29-14-12-22-18-30-24-9-5-4-8-23(22)24/h2-11,16,18,25,30H,12-15,17,28H2,1H3,(H,29,32)/t25-/m1/s1.
What are the key properties of 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate?
2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 458.56 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 59081943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).