3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid

C19H26N2O4 — CID 146141590

IUPAC3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(=O)N(CC1CC1)CC1CN(C)CCO1
InChIInChI=1S/C19H26N2O4/c1-13-3-6-15(19(23)24)9-17(13)18(22)21(10-14-4-5-14)12-16-11-20(2)7-8-25-16/h3,6,9,14,16H,4-5,7-8,10-12H2,1-2H3,(H,23,24)
InChIKeyOBKYRAUZNKFNAY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.88
Rot. Bonds6

About 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid

3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid (PubChem CID 146141590) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
PubChem CID146141590
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(=O)N(CC1CC1)CC1CN(C)CCO1
InChIInChI=1S/C19H26N2O4/c1-13-3-6-15(19(23)24)9-17(13)18(22)21(10-14-4-5-14)12-16-11-20(2)7-8-25-16/h3,6,9,14,16H,4-5,7-8,10-12H2,1-2H3,(H,23,24)
InChIKeyOBKYRAUZNKFNAY-UHFFFAOYSA-N
XLogP1.88
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478726
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167
N-(cyclopropylmethyl)-5-(dimethylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 127976011
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid?
The IUPAC name of 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid (CID 146141590) is 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1C(=O)N(CC1CC1)CC1CN(C)CCO1.
What is the InChIKey of 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid?
The InChIKey is OBKYRAUZNKFNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-3-6-15(19(23)24)9-17(13)18(22)21(10-14-4-5-14)12-16-11-20(2)7-8-25-16/h3,6,9,14,16H,4-5,7-8,10-12H2,1-2H3,(H,23,24).
What are the key properties of 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid?
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 146141590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).