methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate

C17H20N2O3 — CID 8695474

IUPACmethyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-11(18-12(2)16(20)19-17(21)22-3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,18H,1-3H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKeyRFCKDPRBALFRIN-RYUDHWBXSA-N
MW300.36 g/mol
LogP2.76
Rot. Bonds4

About methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate

methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate (PubChem CID 8695474) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
PubChem CID8695474
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O3/c1-11(18-12(2)16(20)19-17(21)22-3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,18H,1-3H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKeyRFCKDPRBALFRIN-RYUDHWBXSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811629
4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
CID 86976453
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40710619
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
N-methyl-N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811633
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate (CID 8695474) is methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate is COC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc12.
What is the InChIKey of methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate?
The InChIKey is RFCKDPRBALFRIN-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(18-12(2)16(20)19-17(21)22-3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,18H,1-3H3,(H,19,20,21)/t11-,12-/m0/s1.
What are the key properties of methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate?
methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate is sourced from PubChem (CID 8695474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).