benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate

C19H22N2O4 — CID 67174902

IUPACbenzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(C)NC(=O)c1ccccc1O
InChIInChI=1S/C19H22N2O4/c1-13(20-18(23)16-10-6-7-11-17(16)22)14(2)21-19(24)25-12-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCYMNCVFKEYBRPG-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.83
Rot. Bonds6

About benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate

benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate (PubChem CID 67174902) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
PubChem CID67174902
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(C)NC(=O)c1ccccc1O
InChIInChI=1S/C19H22N2O4/c1-13(20-18(23)16-10-6-7-11-17(16)22)14(2)21-19(24)25-12-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCYMNCVFKEYBRPG-UHFFFAOYSA-N
XLogP2.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate?
The IUPAC name of benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate (CID 67174902) is benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(C)NC(=O)c1ccccc1O.
What is the InChIKey of benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate?
The InChIKey is CYMNCVFKEYBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(20-18(23)16-10-6-7-11-17(16)22)14(2)21-19(24)25-12-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate?
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate has a molecular weight of 342.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 67174902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).