ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate

C14H22N2O2 — CID 43703992

IUPACethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(CC)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11(5-2)15-12-7-9-13(10-8-12)16-14(17)18-6-3/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyIKFPVWBYURYDQV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.86
Rot. Bonds6

About ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate

ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate (PubChem CID 43703992) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
PubChem CID43703992
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(CC)CC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11(5-2)15-12-7-9-13(10-8-12)16-14(17)18-6-3/h7-11,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyIKFPVWBYURYDQV-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethane;ethyl N-(4-methylphenyl)carbamate
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CID 40507045
ethyl N-(4-tert-butylphenyl)carbamate
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ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[[(2R,3R)-2-ethyl-3-hydroxybutanoyl]amino]phenyl]carbamate
CID 99794465
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
CID 63695809
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate (CID 43703992) is ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NC(CC)CC)cc1.
What is the InChIKey of ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate?
The InChIKey is IKFPVWBYURYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(5-2)15-12-7-9-13(10-8-12)16-14(17)18-6-3/h7-11,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate?
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 43703992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).