N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide

C20H31N3O3 — CID 8768593

IUPACN-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)NC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)21-18(24)13-22(4)14-19(25)23(16-8-9-16)12-15-6-10-17(26-5)11-7-15/h6-7,10-11,16H,8-9,12-14H2,1-5H3,(H,21,24)
InChIKeyUWUKOWZCBGXMKT-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.03
Rot. Bonds8

About N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8768593) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8768593
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)NC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)21-18(24)13-22(4)14-19(25)23(16-8-9-16)12-15-6-10-17(26-5)11-7-15/h6-7,10-11,16H,8-9,12-14H2,1-5H3,(H,21,24)
InChIKeyUWUKOWZCBGXMKT-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816106
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622472
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087125
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75462168
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 8768593) is N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide is COc1ccc(CN(C(=O)CN(C)CC(=O)NC(C)(C)C)C2CC2)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is UWUKOWZCBGXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)21-18(24)13-22(4)14-19(25)23(16-8-9-16)12-15-6-10-17(26-5)11-7-15/h6-7,10-11,16H,8-9,12-14H2,1-5H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 361.49 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8768593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).