benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate

C19H29N3O3 — CID 103393723

IUPACbenzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
SMILESCC(C)CNC(=O)C(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-20-18(23)14(3)21-16-9-17(10-16)22-19(24)25-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,21H,9-12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyABZWOEFJKNQSTB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.19
Rot. Bonds8

About benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate

benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate (PubChem CID 103393723) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
PubChem CID103393723
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namebenzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
SMILESCC(C)CNC(=O)C(C)NC1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-20-18(23)14(3)21-16-9-17(10-16)22-19(24)25-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,21H,9-12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyABZWOEFJKNQSTB-UHFFFAOYSA-N
XLogP2.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619
benzyl N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]cyclobutyl]carbamate
CID 103393770
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3-(1-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 103392923
benzyl N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103393591
benzyl N-[3-[1-(4-chlorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392858
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate (CID 103393723) is benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate is CC(C)CNC(=O)C(C)NC1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
The InChIKey is ABZWOEFJKNQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)11-20-18(23)14(3)21-16-9-17(10-16)22-19(24)25-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,21H,9-12H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate?
benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).