2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide

C24H35N3O2 — CID 175252354

IUPAC2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
SMILESCCC(Cc1ccccc1)(Cc1ccccc1N1CCOCC1)N(C)C.NC=O
InChIInChI=1S/C23H32N2O.CH3NO/c1-4-23(24(2)3,18-20-10-6-5-7-11-20)19-21-12-8-9-13-22(21)25-14-16-26-17-15-25;2-1-3/h5-13H,4,14-19H2,1-3H3;1H,(H2,2,3)
InChIKeyYQKWRHRTRQXVOR-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.12
Rot. Bonds7

About 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide

2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide (PubChem CID 175252354) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide.

Molecular Properties

Compound Name2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
PubChem CID175252354
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
SMILESCCC(Cc1ccccc1)(Cc1ccccc1N1CCOCC1)N(C)C.NC=O
InChIInChI=1S/C23H32N2O.CH3NO/c1-4-23(24(2)3,18-20-10-6-5-7-11-20)19-21-12-8-9-13-22(21)25-14-16-26-17-15-25;2-1-3/h5-13H,4,14-19H2,1-3H3;1H,(H2,2,3)
InChIKeyYQKWRHRTRQXVOR-UHFFFAOYSA-N
XLogP3.12
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
CID 66962333
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
CID 174589642
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913004
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N,N-dimethyl-1-[4-(morpholin-4-ylmethyl)phenyl]-2-[(4-piperazin-1-ylphenyl)methyl]butan-2-amine
CID 146184027
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
CID 87090040

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide?
The IUPAC name of 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide (CID 175252354) is 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide.
What is the SMILES notation for 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide?
The canonical SMILES for 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide is CCC(Cc1ccccc1)(Cc1ccccc1N1CCOCC1)N(C)C.NC=O.
What is the InChIKey of 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide?
The InChIKey is YQKWRHRTRQXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.CH3NO/c1-4-23(24(2)3,18-20-10-6-5-7-11-20)19-21-12-8-9-13-22(21)25-14-16-26-17-15-25;2-1-3/h5-13H,4,14-19H2,1-3H3;1H,(H2,2,3).
What are the key properties of 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide?
2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide has a molecular weight of 397.56 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide is sourced from PubChem (CID 175252354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).