benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate

C20H33N3O4 — CID 66768296

IUPACbenzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate
SMILESCCC[C@H](O)CCN(CC(C)(C)NC(=O)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C20H33N3O4/c1-4-8-17(24)11-12-23(15-20(2,3)22-18(25)13-21)19(26)27-14-16-9-6-5-7-10-16/h5-7,9-10,17,24H,4,8,11-15,21H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyUQNLRXGTJTZEND-KRWDZBQOSA-N
MW379.50 g/mol
LogP2.03
Rot. Bonds11

About benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate

benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate (PubChem CID 66768296) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate
PubChem CID66768296
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Namebenzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate
SMILESCCC[C@H](O)CCN(CC(C)(C)NC(=O)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C20H33N3O4/c1-4-8-17(24)11-12-23(15-20(2,3)22-18(25)13-21)19(26)27-14-16-9-6-5-7-10-16/h5-7,9-10,17,24H,4,8,11-15,21H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyUQNLRXGTJTZEND-KRWDZBQOSA-N
XLogP2.03
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
2-hydroxy-3-(2-oxo-2-phenylmethoxyethyl)hexanoic acid
CID 58331723
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
benzyl N-[(2S)-1-[[(2S)-3-amino-2-hydroxypropyl]-(3-methylbutyl)amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]carbamate
CID 142872215
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
benzyl 3,3-dimethyl-2-propylpentanoate
CID 170003453

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate?
The IUPAC name of benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate (CID 66768296) is benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate?
The canonical SMILES for benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate is CCC[C@H](O)CCN(CC(C)(C)NC(=O)CN)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate?
The InChIKey is UQNLRXGTJTZEND-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-4-8-17(24)11-12-23(15-20(2,3)22-18(25)13-21)19(26)27-14-16-9-6-5-7-10-16/h5-7,9-10,17,24H,4,8,11-15,21H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate?
benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate has a molecular weight of 379.50 g/mol, XLogP of 2.03, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate is sourced from PubChem (CID 66768296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).