2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide

C18H21N3O4 — CID 18159437

IUPAC2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)NC(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)21-17(22)12(2)20-18(19)23/h4-12H,3H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyLYVNBYAJPSLOLE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.87
Rot. Bonds7

About 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide

2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide (PubChem CID 18159437) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
PubChem CID18159437
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)NC(N)=O)cc2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)21-17(22)12(2)20-18(19)23/h4-12H,3H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyLYVNBYAJPSLOLE-UHFFFAOYSA-N
XLogP2.87
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide (CID 18159437) is 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide is CCOc1ccc(Oc2ccc(NC(=O)C(C)NC(N)=O)cc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide?
The InChIKey is LYVNBYAJPSLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-24-14-8-10-16(11-9-14)25-15-6-4-13(5-7-15)21-17(22)12(2)20-18(19)23/h4-12H,3H2,1-2H3,(H,21,22)(H3,19,20,23).
What are the key properties of 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide?
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide is sourced from PubChem (CID 18159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).