formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate

C41H63F2N5O6 — CID 142191772

About formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate

formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate (PubChem CID 142191772) has the molecular formula C41H63F2N5O6 and a molecular weight of 759.98 g/mol. Its IUPAC name is formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
• PubChem CID: 142191772
• Molecular Formula: C41H63F2N5O6
• Molecular Weight: 759.98 g/mol
• Exact Mass: 759.47
• IUPAC Name: formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
• SMILES: C=O.C=O.CCCC(C)CCC.CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(CC)NC(=O)OCc2cccnc2)c1.CN
• InChI: InChI=1S/C30H36F2N4O4.C8H18.CH5N.2CH2O/c1-3-20-7-5-8-21(11-20)16-34-18-28(37)27(14-23-12-24(31)15-25(32)13-23)35-29(38)26(4-2)36-30(39)40-19-22-9-6-10-33-17-22;1-4-6-8(3)7-5-2;3*1-2/h5-13,15,17,26-28,34,37H,3-4,14,16,18-19H2,1-2H3,(H,35,38)(H,36,39);8H,4-7H2,1-3H3;2H2,1H3;2*1H2/t26?,27-,28+;;;;/m0..../s1
• InChIKey: PQCYSPVVQAYOEG-QQEMQBEJSA-N
• XLogP: 6.23
• TPSA: 172.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.98
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate?

The IUPAC name of formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate (CID 142191772) is formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate?

The canonical SMILES for formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate is C=O.C=O.CCCC(C)CCC.CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(CC)NC(=O)OCc2cccnc2)c1.CN.

What is the InChIKey of formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate?

The InChIKey is PQCYSPVVQAYOEG-QQEMQBEJSA-N. The full InChI is InChI=1S/C30H36F2N4O4.C8H18.CH5N.2CH2O/c1-3-20-7-5-8-21(11-20)16-34-18-28(37)27(14-23-12-24(31)15-25(32)13-23)35-29(38)26(4-2)36-30(39)40-19-22-9-6-10-33-17-22;1-4-6-8(3)7-5-2;3*1-2/h5-13,15,17,26-28,34,37H,3-4,14,16,18-19H2,1-2H3,(H,35,38)(H,36,39);8H,4-7H2,1-3H3;2H2,1H3;2*1H2/t26?,27-,28+;;;;/m0..../s1.

What are the key properties of formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate?

formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 759.98 g/mol, XLogP of 6.23, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;methanamine;4-methylheptane;pyridin-3-ylmethyl N-[1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 142191772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).