N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide

C15H23N3O3 — CID 122556142

IUPACN-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-14-6-4-5-13(9-14)10-18-15(20)17-8-7-16-12(3)19/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyGVZUZBQRHYCXKZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.41
Rot. Bonds7

About N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide

N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide (PubChem CID 122556142) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
PubChem CID122556142
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-14-6-4-5-13(9-14)10-18-15(20)17-8-7-16-12(3)19/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyGVZUZBQRHYCXKZ-UHFFFAOYSA-N
XLogP1.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide (CID 122556142) is N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide?
The InChIKey is GVZUZBQRHYCXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)21-14-6-4-5-13(9-14)10-18-15(20)17-8-7-16-12(3)19/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide?
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 122556142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).