N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide

C14H22N4O2 — CID 62832500

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-3-16-9-8-13(19)17-10(2)11-4-6-12(7-5-11)18-14(15)20/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H3,15,18,20)
InChIKeyQDRSIMVAUGJBTR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds7

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide (PubChem CID 62832500) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
PubChem CID62832500
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O2/c1-3-16-9-8-13(19)17-10(2)11-4-6-12(7-5-11)18-14(15)20/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H3,15,18,20)
InChIKeyQDRSIMVAUGJBTR-UHFFFAOYSA-N
XLogP1.35
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
N-[4-[1-[4-(carbamoylamino)phenyl]ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 55703070
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide (CID 62832500) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide is CCNCCC(=O)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide?
The InChIKey is QDRSIMVAUGJBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-16-9-8-13(19)17-10(2)11-4-6-12(7-5-11)18-14(15)20/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,19)(H3,15,18,20).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62832500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).