N,N-dimethyl-1-phenylmethanamine;prop-2-enamide

C12H18N2O — CID 174647778

IUPACN,N-dimethyl-1-phenylmethanamine;prop-2-enamide
SMILESC=CC(N)=O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C3H5NO/c1-10(2)8-9-6-4-3-5-7-9;1-2-3(4)5/h3-7H,8H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyBWNNVRCKMHEMAE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.41
Rot. Bonds3

About N,N-dimethyl-1-phenylmethanamine;prop-2-enamide

N,N-dimethyl-1-phenylmethanamine;prop-2-enamide (PubChem CID 174647778) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;prop-2-enamide
PubChem CID174647778
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN,N-dimethyl-1-phenylmethanamine;prop-2-enamide
SMILESC=CC(N)=O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C3H5NO/c1-10(2)8-9-6-4-3-5-7-9;1-2-3(4)5/h3-7H,8H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyBWNNVRCKMHEMAE-UHFFFAOYSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
4-[benzyl(methyl)amino]-4-prop-2-enoylhepta-1,6-diene-3,5-dione
CID 175740465
N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid
CID 159920944
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
benzyl(triethyl)azanium;prop-2-enamide;bromide
CID 88664409
N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
CID 173041614

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;prop-2-enamide?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;prop-2-enamide (CID 174647778) is N,N-dimethyl-1-phenylmethanamine;prop-2-enamide.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;prop-2-enamide?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;prop-2-enamide is C=CC(N)=O.CN(C)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;prop-2-enamide?
The InChIKey is BWNNVRCKMHEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C3H5NO/c1-10(2)8-9-6-4-3-5-7-9;1-2-3(4)5/h3-7H,8H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of N,N-dimethyl-1-phenylmethanamine;prop-2-enamide?
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide has a molecular weight of 206.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;prop-2-enamide is sourced from PubChem (CID 174647778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).