tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate

C15H22N2O4 — CID 58812989

IUPACtert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
SMILESCOCCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJVWXJBOTDPMMLR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds5

About tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate

tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate (PubChem CID 58812989) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
PubChem CID58812989
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
SMILESCOCCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJVWXJBOTDPMMLR-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[2,3,4-trifluoro-5-(3-methoxypropanoylamino)phenyl]carbamate
CID 136562270
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
tert-butyl N-[4-[4-(6-bromohexanoylamino)phenyl]phenyl]carbamate
CID 176887538
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
4-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-oxobutanoic acid
CID 147264482
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate (CID 58812989) is tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate is COCCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate?
The InChIKey is JVWXJBOTDPMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-7-5-11(6-8-12)16-13(18)9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate?
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate is sourced from PubChem (CID 58812989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).