N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide

C14H22N2O — CID 43507815

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
SMILESCCNC(C)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-5-15-11(4)12-7-6-8-13(9-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyHBDHBTKNZZPZPM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds5

About N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide (PubChem CID 43507815) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
PubChem CID43507815
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
SMILESCCNC(C)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-5-15-11(4)12-7-6-8-13(9-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyHBDHBTKNZZPZPM-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
CID 61455487
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide (CID 43507815) is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide is CCNC(C)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide?
The InChIKey is HBDHBTKNZZPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-15-11(4)12-7-6-8-13(9-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide?
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 43507815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).