ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate

C17H27N3O3 — CID 60542297

IUPACethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
SMILESCCCCCNC(=O)C(C)Nc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-6-7-12-18-16(21)13(3)19-14-8-10-15(11-9-14)20-17(22)23-5-2/h8-11,13,19H,4-7,12H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyQLCPSCFZVWUOEP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.36
Rot. Bonds9

About ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate

ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate (PubChem CID 60542297) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
PubChem CID60542297
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nameethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
SMILESCCCCCNC(=O)C(C)Nc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C17H27N3O3/c1-4-6-7-12-18-16(21)13(3)19-14-8-10-15(11-9-14)20-17(22)23-5-2/h8-11,13,19H,4-7,12H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyQLCPSCFZVWUOEP-UHFFFAOYSA-N
XLogP3.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542560
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate (CID 60542297) is ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate is CCCCCNC(=O)C(C)Nc1ccc(NC(=O)OCC)cc1.
What is the InChIKey of ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate?
The InChIKey is QLCPSCFZVWUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-6-7-12-18-16(21)13(3)19-14-8-10-15(11-9-14)20-17(22)23-5-2/h8-11,13,19H,4-7,12H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate?
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 60542297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).