N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide

C14H21N3O2 — CID 94066123

IUPACN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
SMILESCCCCC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-3-4-5-13(18)16-10(2)11-6-8-12(9-7-11)17-14(15)19/h6-10H,3-5H2,1-2H3,(H,16,18)(H3,15,17,19)/t10-/m1/s1
InChIKeyAILAOCUFMMXTPX-SNVBAGLBSA-N
MW263.34 g/mol
LogP2.54
Rot. Bonds6

About N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide (PubChem CID 94066123) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
PubChem CID94066123
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
SMILESCCCCC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-3-4-5-13(18)16-10(2)11-6-8-12(9-7-11)17-14(15)19/h6-10H,3-5H2,1-2H3,(H,16,18)(H3,15,17,19)/t10-/m1/s1
InChIKeyAILAOCUFMMXTPX-SNVBAGLBSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
CID 62832500
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[4-[1-[4-(carbamoylamino)phenyl]ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 55703070
3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
N-[1-(3,5-difluorophenyl)ethyl]pentanamide
CID 141128991
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
N-[(1S)-1-phenylethyl]decanamide
CID 98131360

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide?
The IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide (CID 94066123) is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide.
What is the SMILES notation for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide?
The canonical SMILES for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide is CCCCC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide?
The InChIKey is AILAOCUFMMXTPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-4-5-13(18)16-10(2)11-6-8-12(9-7-11)17-14(15)19/h6-10H,3-5H2,1-2H3,(H,16,18)(H3,15,17,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide?
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide is sourced from PubChem (CID 94066123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).