benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate

C25H29N3O3 — CID 57093072

IUPACbenzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate
SMILESC[C@@H](N[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O3/c1-18(21-14-13-20-10-5-6-11-22(20)16-21)28-23(24(26)29)12-7-15-27-25(30)31-17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23,28H,7,12,15,17H2,1H3,(H2,26,29)(H,27,30)/t18-,23-/m1/s1
InChIKeyFITBDTMZGGBRMM-WZONZLPQSA-N
MW419.53 g/mol
LogP4.05
Rot. Bonds10

About benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate

benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate (PubChem CID 57093072) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate
PubChem CID57093072
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Namebenzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate
SMILESC[C@@H](N[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O3/c1-18(21-14-13-20-10-5-6-11-22(20)16-21)28-23(24(26)29)12-7-15-27-25(30)31-17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23,28H,7,12,15,17H2,1H3,(H2,26,29)(H,27,30)/t18-,23-/m1/s1
InChIKeyFITBDTMZGGBRMM-WZONZLPQSA-N
XLogP4.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate with MolForge

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Related Compounds

(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(5S)-6-amino-5-[[(2S)-2-methyl-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
CID 126709502
(2S)-2-[[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 54501952
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023
benzyl N-[N'-[(4R)-5-amino-4-[[(1R)-1-(4-hydroxyphenyl)ethyl]amino]-5-oxopentyl]-N-phenylmethoxycarbonylcarbamimidoyl]carbamate
CID 70140048
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
benzyl N-[(4R)-5-amino-4-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentyl]carbamate;hydrochloride
CID 70268668
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexyl]carbamate
CID 72535040
benzyl N-[(5S)-6-amino-5-[[(2S)-2-(chloroamino)-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
CID 126712953
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate?
The IUPAC name of benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate (CID 57093072) is benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate?
The canonical SMILES for benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate is C[C@@H](N[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O)c1ccc2ccccc2c1.
What is the InChIKey of benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate?
The InChIKey is FITBDTMZGGBRMM-WZONZLPQSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18(21-14-13-20-10-5-6-11-22(20)16-21)28-23(24(26)29)12-7-15-27-25(30)31-17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,18,23,28H,7,12,15,17H2,1H3,(H2,26,29)(H,27,30)/t18-,23-/m1/s1.
What are the key properties of benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate?
benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate has a molecular weight of 419.53 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-5-amino-4-[[(1R)-1-naphthalen-2-ylethyl]amino]-5-oxopentyl]carbamate is sourced from PubChem (CID 57093072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).