N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide

C16H25N3O3 — CID 119064075

IUPACN-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCOc1cccc([C@@H](C)NC(=O)NCCNC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(2)15(20)17-8-9-18-16(21)19-12(3)13-6-5-7-14(10-13)22-4/h5-7,10-12H,8-9H2,1-4H3,(H,17,20)(H2,18,19,21)/t12-/m1/s1
InChIKeyICNQNMZLTLCCFL-GFCCVEGCSA-N
MW307.39 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide

N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 119064075) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
PubChem CID119064075
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCOc1cccc([C@@H](C)NC(=O)NCCNC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(2)15(20)17-8-9-18-16(21)19-12(3)13-6-5-7-14(10-13)22-4/h5-7,10-12H,8-9H2,1-4H3,(H,17,20)(H2,18,19,21)/t12-/m1/s1
InChIKeyICNQNMZLTLCCFL-GFCCVEGCSA-N
XLogP1.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.83
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

1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115244
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide (CID 119064075) is N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide is COc1cccc([C@@H](C)NC(=O)NCCNC(=O)C(C)C)c1.
What is the InChIKey of N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is ICNQNMZLTLCCFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)15(20)17-8-9-18-16(21)19-12(3)13-6-5-7-14(10-13)22-4/h5-7,10-12H,8-9H2,1-4H3,(H,17,20)(H2,18,19,21)/t12-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 119064075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).