N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide

C23H31N3O2 — CID 87003505

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2)17-26(13-14-28-23)22(27)24-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(3)4/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyDDPUPLPQPOQFAK-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 87003505) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID87003505
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2)17-26(13-14-28-23)22(27)24-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(3)4/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyDDPUPLPQPOQFAK-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-N-methylpiperidine-1-carboxamide
CID 51003053
N-benzylmorpholine-4-carboxamide
CID 760018
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
3-[1-(biphenyl-4-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 23724040
[2-Methyl-2-[[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl-[(4-phenylphenyl)methyl]carbamoyl]amino]propyl] acetate
CID 44437526
3-Cyclohexyl-1-(3-methoxypropyl)-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
CID 44571989
N-(3-methoxypropyl)-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 44571991
1,1-Dimethyl-3-[3-(4-morpholinyl)propyl]-3-(1-naphthalenylmethyl)urea
CID 3438105
N,7,8-trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CID 24901535

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide (CID 87003505) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide is CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is DDPUPLPQPOQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2)17-26(13-14-28-23)22(27)24-15-20-7-5-6-8-21(20)19-11-9-18(10-12-19)16-25(3)4/h5-12H,13-17H2,1-4H3,(H,24,27).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 87003505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).