N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide

C15H23N3O2 — CID 60610481

IUPACN,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
SMILESCc1cccc(CCNC(=O)NC(C)C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-7-13(10-11)8-9-16-15(20)17-12(2)14(19)18(3)4/h5-7,10,12H,8-9H2,1-4H3,(H2,16,17,20)
InChIKeyUGLKNFOXQFVKCT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.31
Rot. Bonds5

About N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide

N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide (PubChem CID 60610481) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
PubChem CID60610481
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
SMILESCc1cccc(CCNC(=O)NC(C)C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-7-13(10-11)8-9-16-15(20)17-12(2)14(19)18(3)4/h5-7,10,12H,8-9H2,1-4H3,(H2,16,17,20)
InChIKeyUGLKNFOXQFVKCT-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
2-[2-(3-methylphenyl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 62313413
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110838222
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide (CID 60610481) is N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide is Cc1cccc(CCNC(=O)NC(C)C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide?
The InChIKey is UGLKNFOXQFVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-5-7-13(10-11)8-9-16-15(20)17-12(2)14(19)18(3)4/h5-7,10,12H,8-9H2,1-4H3,(H2,16,17,20).
What are the key properties of N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide?
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 60610481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).