N-[4-[1-(methylamino)ethyl]phenyl]propanamide

C12H18N2O — CID 43507580

IUPACN-[4-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)9(2)13-3/h5-9,13H,4H2,1-3H3,(H,14,15)
InChIKeyXXMWWXKTOCTHIP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.32
Rot. Bonds4

About N-[4-[1-(methylamino)ethyl]phenyl]propanamide

N-[4-[1-(methylamino)ethyl]phenyl]propanamide (PubChem CID 43507580) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]phenyl]propanamide
PubChem CID43507580
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[4-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)9(2)13-3/h5-9,13H,4H2,1-3H3,(H,14,15)
InChIKeyXXMWWXKTOCTHIP-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184
N-[4-[1-(methylamino)ethyl]phenyl]nonanamide
CID 65449865
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
CID 82985299
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]phenyl]propanamide (CID 43507580) is N-[4-[1-(methylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]phenyl]propanamide?
The InChIKey is XXMWWXKTOCTHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(15)14-11-7-5-10(6-8-11)9(2)13-3/h5-9,13H,4H2,1-3H3,(H,14,15).
What are the key properties of N-[4-[1-(methylamino)ethyl]phenyl]propanamide?
N-[4-[1-(methylamino)ethyl]phenyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 43507580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).