2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride

C19H28ClN3O3 — CID 119744228

IUPAC2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC1CN(C(=O)c2ccc(NC(=O)CNCC3CC3)cc2)CC(C)O1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-11-22(12-14(2)25-13)19(24)16-5-7-17(8-6-16)21-18(23)10-20-9-15-3-4-15;/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyKFJMEYUGYYQLEL-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.30
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119744228) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119744228
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC1CN(C(=O)c2ccc(NC(=O)CNCC3CC3)cc2)CC(C)O1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-11-22(12-14(2)25-13)19(24)16-5-7-17(8-6-16)21-18(23)10-20-9-15-3-4-15;/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23);1H
InChIKeyKFJMEYUGYYQLEL-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119744249
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
CID 94631757
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975409

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride (CID 119744228) is 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride is CC1CN(C(=O)c2ccc(NC(=O)CNCC3CC3)cc2)CC(C)O1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is KFJMEYUGYYQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-13-11-22(12-14(2)25-13)19(24)16-5-7-17(8-6-16)21-18(23)10-20-9-15-3-4-15;/h5-8,13-15,20H,3-4,9-12H2,1-2H3,(H,21,23);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119744228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).