1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea

C14H22N4O3 — CID 94780475

IUPAC1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O3/c1-10(17-14(20)16-8-3-9-21-2)11-4-6-12(7-5-11)18-13(15)19/h4-7,10H,3,8-9H2,1-2H3,(H3,15,18,19)(H2,16,17,20)/t10-/m1/s1
InChIKeyZFPPUZSVHUWNNA-SNVBAGLBSA-N
MW294.36 g/mol
LogP1.57
Rot. Bonds7

About 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea

1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea (PubChem CID 94780475) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
PubChem CID94780475
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H22N4O3/c1-10(17-14(20)16-8-3-9-21-2)11-4-6-12(7-5-11)18-13(15)19/h4-7,10H,3,8-9H2,1-2H3,(H3,15,18,19)(H2,16,17,20)/t10-/m1/s1
InChIKeyZFPPUZSVHUWNNA-SNVBAGLBSA-N
XLogP1.57
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.57
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

1-[(1S)-1-[4-(carbamoylamino)phenyl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 94818960
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
CID 62832500
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 94797599
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
N-[4-[1-[4-(carbamoylamino)phenyl]ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 55703070

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea (CID 94780475) is 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea?
The InChIKey is ZFPPUZSVHUWNNA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(17-14(20)16-8-3-9-21-2)11-4-6-12(7-5-11)18-13(15)19/h4-7,10H,3,8-9H2,1-2H3,(H3,15,18,19)(H2,16,17,20)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea?
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea has a molecular weight of 294.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 94780475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).